Entry: 6h9e | 3D view | ISOMERASE | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-Ligand Environment | ||||||||||||
Protein Residues | Ligand | Bonds | ||||||||||
Chain | SStr-Elm | Name | Number | Atom | Chain | Name | Number | Atom | Distance/Å | Possible Bond Type | ||
A | No-SSE | SER | 13 | C | A | B12 | 201 | N45 | 3.98 | H.Bond | ||
A | No-SSE | SER | 13 | O | A | B12 | 201 | C43 | 3.59 | van der Waals | ||
A | No-SSE | SER | 13 | O | A | B12 | 201 | O44 | 3.47 | H.Bond | ||
A | No-SSE | SER | 13 | O | A | B12 | 201 | N45 | 2.8 | H.Bond | ||
A | No-SSE | ASP | 14 | CA | A | B12 | 201 | O44 | 3.37 | van der Waals | ||
A | No-SSE | ASP | 14 | C | A | B12 | 201 | O44 | 3.74 | van der Waals | ||
A | No-SSE | ASP | 14 | OD1 | A | B12 | 201 | O44 | 3.67 | H.Bond | ||
A | No-SSE | CYS | 15 | N | A | B12 | 201 | C43 | 3.68 | H.Bond | ||
A | No-SSE | CYS | 15 | N | A | B12 | 201 | O44 | 3.13 | H.Bond | ||
A | No-SSE | CYS | 15 | N | A | B12 | 201 | N45 | 3.77 | H.Bond | ||
A | No-SSE | CYS | 15 | C | A | B12 | 201 | N52 | 3.92 | H.Bond | ||
A | No-SSE | CYS | 15 | O | A | B12 | 201 | C50 | 3.89 | van der Waals | ||
A | No-SSE | CYS | 15 | O | A | B12 | 201 | N52 | 3.02 | H.Bond | ||
A | No-SSE | CYS | 15 | CB | A | B12 | 201 | N45 | 3.97 | H.Bond | ||
A | No-SSE | CYS | 15 | SG | A | B12 | 201 | C41 | 3.55 | van der Waals | ||
A | No-SSE | CYS | 15 | SG | A | B12 | 201 | C42 | 3.45 | van der Waals | ||
A | No-SSE | CYS | 15 | SG | A | B12 | 201 | C43 | 3.29 | van der Waals | ||
A | No-SSE | CYS | 15 | SG | A | B12 | 201 | O44 | 3.67 | |||
A | No-SSE | CYS | 15 | SG | A | B12 | 201 | N45 | 3.54 | |||
A | No-SSE | HIS | 16 | CA | A | B12 | 201 | C50 | 3.96 | van der Waals | ||
A | No-SSE | HIS | 16 | CA | A | B12 | 201 | O51 | 3.58 | van der Waals | ||
A | No-SSE | HIS | 16 | CA | A | B12 | 201 | N52 | 3.99 | H.Bond | ||
A | No-SSE | HIS | 16 | C | A | B12 | 201 | O51 | 3.63 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | CO | 3.29 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | N23 | 3.35 | H.Bond | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | N24 | 3.57 | H.Bond | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | C20 | 3.81 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | C11 | 3.94 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | C48 | 3.66 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | C14 | 3.65 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | C15 | 3.91 | van der Waals | ||
A | No-SSE | HIS | 16 | CD2 | A | B12 | 201 | C16 | 3.89 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | CO | 3.11 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | N21 | 3.35 | H.Bond | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | N22 | 2.99 | H.Bond | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | N23 | 3.98 | H.Bond | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C20 | 3.64 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C4 | 3.69 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C5 | 3.75 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C6 | 3.43 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C7 | 3.99 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C36 | 3.89 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C41 | 3.83 | van der Waals | ||
A | No-SSE | HIS | 16 | CE1 | A | B12 | 201 | C9 | 3.61 | van der Waals | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | CO | 2.23 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | N21 | 2.98 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | N22 | 2.82 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | N23 | 2.87 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | N24 | 3.06 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C1 | 3.65 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C20 | 3.29 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C4 | 3.77 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C6 | 3.71 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C9 | 3.46 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C10 | 3.74 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C11 | 3.49 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C14 | 3.64 | H.Bond | ||
A | No-SSE | HIS | 16 | NE2 | A | B12 | 201 | C16 | 3.83 | H.Bond | ||
A | 17-30 H | ALA | 17 | N | A | B12 | 201 | C50 | 3.64 | H.Bond | ||
A | 17-30 H | ALA | 17 | N | A | B12 | 201 | O51 | 2.76 | H.Bond | ||
A | 17-30 H | ALA | 17 | N | A | B12 | 201 | N52 | 3.84 | H.Bond | ||
A | 17-30 H | ALA | 17 | CA | A | B12 | 201 | O51 | 3.62 | van der Waals | ||
A | 17-30 H | ALA | 17 | CB | A | B12 | 201 | O51 | 3.74 | van der Waals | ||
A | 17-30 H | VAL | 18 | N | A | B12 | 201 | O51 | 3.56 | H.Bond | ||
A | 17-30 H | VAL | 18 | CB | A | B12 | 201 | O58 | 3.39 | van der Waals | ||
A | 17-30 H | VAL | 18 | CG1 | A | B12 | 201 | O58 | 3.95 | van der Waals | ||
A | 17-30 H | VAL | 18 | CG2 | A | B12 | 201 | O51 | 3.91 | van der Waals | ||
A | 17-30 H | VAL | 18 | CG2 | A | B12 | 201 | O58 | 3.92 | van der Waals | ||
A | 17-30 H | GLY | 19 | N | A | B12 | 201 | C2P | 3.79 | H.Bond | ||
A | 17-30 H | GLY | 19 | N | A | B12 | 201 | O4 | 3.81 | H.Bond | ||
A | 17-30 H | GLY | 19 | CA | A | B12 | 201 | C2P | 3.79 | van der Waals | ||
A | 17-30 H | GLY | 19 | CA | A | B12 | 201 | C3P | 3.89 | van der Waals | ||
A | 17-30 H | GLY | 19 | CA | A | B12 | 201 | O4 | 3.73 | van der Waals | ||
A | 17-30 H | GLY | 19 | CA | A | B12 | 201 | O2 | 3.59 | van der Waals | ||
A | 17-30 H | GLY | 19 | O | A | B12 | 201 | C5R | 3.83 | van der Waals | ||
A | 17-30 H | ILE | 22 | CB | A | B12 | 201 | C5R | 3.95 | van der Waals | ||
A | 17-30 H | ILE | 22 | CG1 | A | B12 | 201 | C3P | 3.9 | van der Waals | ||
A | 17-30 H | ILE | 22 | CG2 | A | B12 | 201 | C5R | 3.74 | van der Waals | ||
A | 17-30 H | ILE | 22 | CG2 | A | B12 | 201 | O8R | 3.73 | van der Waals | ||
A | 17-30 H | LEU | 23 | CG | A | B12 | 201 | C4R | 3.95 | van der Waals | ||
A | 17-30 H | LEU | 23 | CG | A | B12 | 201 | C5R | 3.98 | van der Waals | ||
A | 17-30 H | LEU | 23 | CD1 | A | B12 | 201 | C8B | 3.86 | van der Waals | ||
A | 17-30 H | LEU | 23 | CD1 | A | B12 | 201 | C2B | 3.91 | van der Waals | ||
A | 17-30 H | LEU | 23 | CD1 | A | B12 | 201 | N3B | 3.69 | H.Bond | ||
A | 17-30 H | LEU | 23 | CD1 | A | B12 | 201 | C9B | 3.63 | van der Waals | ||
A | 17-30 H | LEU | 23 | CD2 | A | B12 | 201 | O6R | 3.78 | van der Waals | ||
A | 17-30 H | LEU | 23 | CD2 | A | B12 | 201 | C7B | 3.97 | van der Waals | ||
A | 57-62 S 1 | LEU | 59 | CG | A | B12 | 201 | C5M | 3.98 | van der Waals | ||
A | 57-62 S 1 | SER | 61 | CA | A | B12 | 201 | N3B | 3.97 | H.Bond | ||
A | 57-62 S 1 | SER | 61 | CB | A | B12 | 201 | N3B | 3.45 | H.Bond | ||
A | 57-62 S 1 | SER | 61 | OG | A | B12 | 201 | C2B | 3.57 | van der Waals | ||
A | 57-62 S 1 | SER | 61 | OG | A | B12 | 201 | N3B | 2.68 | H.Bond | ||
A | 57-62 S 1 | SER | 61 | OG | A | B12 | 201 | C9B | 3.77 | van der Waals | ||
A | No-SSE | LEU | 63 | O | A | B12 | 201 | C20 | 3.8 | van der Waals | ||
A | No-SSE | LEU | 63 | O | A | B12 | 201 | C30 | 3.12 | van der Waals | ||
A | No-SSE | LEU | 63 | O | A | B12 | 201 | N33 | 3.26 | H.Bond | ||
A | No-SSE | LEU | 63 | CG | A | B12 | 201 | O4 | 3.96 | van der Waals | ||
A | No-SSE | LEU | 63 | CD1 | A | B12 | 201 | O4 | 3.74 | van der Waals | ||
A | No-SSE | TYR | 64 | CA | A | B12 | 201 | C30 | 3.98 | van der Waals | ||
A | No-SSE | TYR | 64 | C | A | B12 | 201 | C30 | 3.97 | van der Waals | ||
A | No-SSE | TYR | 64 | C | A | B12 | 201 | N33 | 3.66 | H.Bond | ||
A | No-SSE | TYR | 64 | O | A | B12 | 201 | C30 | 3.94 | van der Waals | ||
A | No-SSE | TYR | 64 | O | A | B12 | 201 | C31 | 3.94 | van der Waals | ||
A | No-SSE | TYR | 64 | O | A | B12 | 201 | N33 | 3.91 | H.Bond | ||
A | No-SSE | TYR | 64 | O | A | B12 | 201 | C35 | 3.77 | van der Waals | ||
A | No-SSE | TYR | 64 | CB | A | B12 | 201 | C36 | 3.45 | van der Waals | ||
A | No-SSE | TYR | 64 | CB | A | B12 | 201 | O44 | 3.86 | van der Waals | ||
A | No-SSE | TYR | 64 | CD2 | A | B12 | 201 | O44 | 3.41 | van der Waals | ||
A | No-SSE | GLY | 65 | N | A | B12 | 201 | N33 | 3.34 | H.Bond | ||
A | No-SSE | GLY | 65 | CA | A | B12 | 201 | C32 | 3.95 | van der Waals | ||
A | No-SSE | GLY | 65 | CA | A | B12 | 201 | N33 | 3.24 | H.Bond | ||
A | 87-92 S 1 | TYR | 89 | CB | A | B12 | 201 | C5M | 3.91 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | N | A | B12 | 201 | C4B | 3.65 | H.Bond | ||
A | 87-92 S 1 | GLY | 91 | N | A | B12 | 201 | C5B | 3.99 | H.Bond | ||
A | 87-92 S 1 | GLY | 91 | N | A | B12 | 201 | C5M | 3.93 | H.Bond | ||
A | 87-92 S 1 | GLY | 91 | CA | A | B12 | 201 | C9B | 3.89 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | CA | A | B12 | 201 | C4B | 3.5 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | CA | A | B12 | 201 | C5B | 3.85 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | C | A | B12 | 201 | N3B | 3.52 | H.Bond | ||
A | 87-92 S 1 | GLY | 91 | C | A | B12 | 201 | C9B | 3.49 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | C | A | B12 | 201 | C4B | 3.56 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | O | A | B12 | 201 | N3B | 3.42 | H.Bond | ||
A | 87-92 S 1 | GLY | 91 | O | A | B12 | 201 | C9B | 3.69 | van der Waals | ||
A | 87-92 S 1 | GLY | 91 | O | A | B12 | 201 | C4B | 3.7 | van der Waals | ||
A | 87-92 S 1 | GLY | 92 | N | A | B12 | 201 | C2B | 3.82 | H.Bond | ||
A | 87-92 S 1 | GLY | 92 | N | A | B12 | 201 | N3B | 3.53 | H.Bond | ||
A | 87-92 S 1 | GLY | 92 | N | A | B12 | 201 | C9B | 3.66 | H.Bond | ||
A | 87-92 S 1 | GLY | 92 | CA | A | B12 | 201 | O7R | 3.75 | van der Waals | ||
A | 87-92 S 1 | GLY | 92 | CA | A | B12 | 201 | C2B | 3.59 | van der Waals | ||
A | 87-92 S 1 | GLY | 92 | CA | A | B12 | 201 | N3B | 3.58 | H.Bond | ||
A | No-SSE | ASN | 93 | C | A | B12 | 201 | N33 | 3.88 | H.Bond | ||
A | No-SSE | ASN | 93 | O | A | B12 | 201 | N33 | 3.03 | H.Bond | ||
A | No-SSE | ASN | 93 | CB | A | B12 | 201 | N33 | 3.54 | H.Bond | ||
A | No-SSE | ASN | 93 | CG | A | B12 | 201 | C25 | 3.94 | van der Waals | ||
A | No-SSE | ASN | 93 | ND2 | A | B12 | 201 | C25 | 3.7 | H.Bond | ||
A | No-SSE | VAL | 95 | O | A | B12 | 201 | C32 | 3.47 | van der Waals | ||
A | No-SSE | VAL | 95 | O | A | B12 | 201 | O34 | 3.15 | H.Bond | ||
A | No-SSE | VAL | 95 | O | A | B12 | 201 | N33 | 2.99 | H.Bond | ||
A | No-SSE | VAL | 96 | CA | A | B12 | 201 | O34 | 3.44 | van der Waals | ||
A | No-SSE | VAL | 96 | C | A | B12 | 201 | O34 | 3.62 | van der Waals | ||
A | No-SSE | GLY | 97 | N | A | B12 | 201 | O34 | 2.85 | H.Bond | ||
A | No-SSE | GLY | 97 | CA | A | B12 | 201 | O34 | 3.82 | van der Waals | ||
A | No-SSE | TYR | 117 | CG | A | B12 | 201 | C6M | 3.92 | van der Waals | ||
A | No-SSE | TYR | 117 | CD2 | A | B12 | 201 | C5M | 3.9 | van der Waals | ||
A | No-SSE | TYR | 117 | CD2 | A | B12 | 201 | C6M | 3.66 | van der Waals | ||
A | No-SSE | TYR | 117 | CE2 | A | B12 | 201 | C6M | 3.78 | van der Waals | ||
A | No-SSE | THR | 121 | O | A | B12 | 201 | C2R | 3.73 | van der Waals | ||
A | No-SSE | THR | 121 | O | A | B12 | 201 | C1R | 3.13 | van der Waals | ||
A | No-SSE | THR | 121 | O | A | B12 | 201 | O6R | 3.3 | H.Bond | ||
A | 122-134 H | PRO | 123 | CG | A | B12 | 201 | C5R | 3.79 | van der Waals | ||
A | 122-134 H | PRO | 123 | CG | A | B12 | 201 | O8R | 3.58 | van der Waals | ||
A | 122-134 H | PRO | 123 | CD | A | B12 | 201 | O8R | 3.67 | van der Waals | ||
A | 122-134 H | GLY | 126 | CA | A | B12 | 201 | C6M | 3.94 | van der Waals | ||
A | HOH | 315 | O | A | B12 | 201 | O58 | 3.67 | H.Bond | |||
A | HOH | 315 | O | A | B12 | 201 | O4 | 2.6 | H.Bond | |||
A | HOH | 323 | O | A | B12 | 201 | C3R | 3.48 | van der Waals | |||
A | HOH | 323 | O | A | B12 | 201 | C2R | 3.38 | van der Waals | |||
A | HOH | 323 | O | A | B12 | 201 | C1R | 3.66 | van der Waals | |||
A | HOH | 323 | O | A | B12 | 201 | O6R | 3.26 | H.Bond | |||
A | HOH | 323 | O | A | B12 | 201 | C4R | 3.7 | van der Waals | |||
A | HOH | 323 | O | A | B12 | 201 | C5R | 3.69 | van der Waals | |||
A | HOH | 323 | O | A | B12 | 201 | O8R | 2.64 | H.Bond | |||
A | HOH | 326 | O | A | B12 | 201 | C48 | 3.68 | van der Waals | |||
A | HOH | 326 | O | A | B12 | 201 | C50 | 3.76 | van der Waals | |||
A | HOH | 326 | O | A | B12 | 201 | O51 | 2.78 | H.Bond | |||
A | HOH | 326 | O | A | B12 | 201 | C56 | 3.78 | van der Waals | |||
A | HOH | 326 | O | A | B12 | 201 | C57 | 3.52 | van der Waals | |||
A | HOH | 326 | O | A | B12 | 201 | O58 | 2.65 | H.Bond | |||
A | HOH | 333 | O | A | B12 | 201 | C2R | 3.43 | van der Waals | |||
A | HOH | 333 | O | A | B12 | 201 | O7R | 2.89 | H.Bond | |||
A | HOH | 333 | O | A | B12 | 201 | C1R | 3.34 | van der Waals | |||
A | HOH | 333 | O | A | B12 | 201 | N1B | 3.49 | H.Bond | |||
A | HOH | 333 | O | A | B12 | 201 | C8B | 3.93 | van der Waals | |||
A | HOH | 343 | O | A | B12 | 201 | N62 | 3.71 | H.Bond | |||
A | HOH | 343 | O | A | B12 | 201 | O3 | 3.71 | H.Bond | |||
A | HOH | 343 | O | A | B12 | 201 | O5 | 2.76 | H.Bond | |||
A | HOH | 343 | O | A | B12 | 201 | P | 3.85 | ||||
A | HOH | 356 | O | A | B12 | 201 | O5 | 3.11 | H.Bond | |||
A | HOH | 356 | O | A | B12 | 201 | C2R | 3.93 | van der Waals | |||
A | HOH | 356 | O | A | B12 | 201 | O7R | 2.95 | H.Bond | |||
A | HOH | 360 | O | A | B12 | 201 | C20 | 3.72 | van der Waals | |||
A | HOH | 360 | O | A | B12 | 201 | C56 | 3.79 | van der Waals | |||
A | HOH | 360 | O | A | B12 | 201 | C18 | 3.76 | van der Waals | |||
A | HOH | 360 | O | A | B12 | 201 | C61 | 3.92 | van der Waals | |||
A | HOH | 360 | O | A | B12 | 201 | N62 | 2.91 | H.Bond | |||
A | HOH | 360 | O | A | B12 | 201 | O4 | 3.81 | H.Bond | |||
A | HOH | 360 | O | A | B12 | 201 | O5 | 2.8 | H.Bond | |||
A | HOH | 360 | O | A | B12 | 201 | P | 3.78 | ||||
A | HOH | 413 | O | A | B12 | 201 | N59 | 3.16 | H.Bond | |||
A | HOH | 413 | O | A | B12 | 201 | N62 | 3.29 | H.Bond | |||
A | HOH | 413 | O | A | B12 | 201 | C1P | 3.52 | van der Waals | |||
A | HOH | 413 | O | A | B12 | 201 | O3 | 3.56 | H.Bond | |||
A | HOH | 413 | O | A | B12 | 201 | O5 | 3.69 | H.Bond | |||
A | HOH | 438 | O | A | B12 | 201 | C2R | 3.89 | van der Waals | |||
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